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	hartrees
Energy at 0K
Energy at 298.15K	0.009069
HF Energy	0.009069
Nuclear repulsion energy	51.557739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2796	2971	70.22
2	A'	2786	2960	68.19
3	A'	2752	2924	86.07
4	A'	2727	2897	28.08
5	A'	2693	2861	40.81
6	A'	1795	1907	27.46
7	A'	1344	1428	38.10
8	A'	1329	1412	73.52
9	A'	1276	1356	2.74
10	A'	1239	1317	46.30
11	A'	1206	1281	18.16
12	A'	1005	1067	31.57
13	A'	937	995	7.46
14	A'	430	457	3.00
15	A"	2691	2859	69.14
16	A"	1249	1327	50.72
17	A"	1049	1114	82.02
18	A"	1030	1095	30.59
19	A"	921	978	28.40
20	A"	565	600	8.72
21	A"	76	81	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	-1.132	-0.489	0.000
C2	0.000	0.483	0.000
C3	1.285	0.132	0.000
H4	1.628	-0.891	0.000
H5	2.093	0.847	0.000
H6	-0.306	1.532	0.000
H7	-0.797	-1.535	0.000
H8	-1.769	-0.353	0.885
H9	-1.769	-0.353	-0.885

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4922	2.4949	2.7891	3.4908	2.1834	1.0979	1.0991	1.0991
C2	1.4922		1.3318	2.1308	2.1246	1.0924	2.1697	2.1475	2.1475
C3	2.4949	1.3318		1.0793	1.0794	2.1190	2.6666	3.2160	3.2160
H4	2.7891	2.1308	1.0793		1.7994	3.1004	2.5090	3.5515	3.5515
H5	3.4908	2.1246	1.0794	1.7994		2.4950	3.7451	4.1399	4.1399
H6	2.1834	1.0924	2.1190	3.1004	2.4950		3.1058	2.5450	2.5450
H7	1.0979	2.1697	2.6666	2.5090	3.7451	3.1058		1.7678	1.7678
H8	1.0991	2.1475	3.2160	3.5515	4.1399	2.5450	1.7678		1.7705
H9	1.0991	2.1475	3.2160	3.5515	4.1399	2.5450	1.7678	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.030	C1	C2	H6	114.413
C2	C1	H7	112.913	C2	C1	H8	111.031
C2	C1	H9	111.031	C2	C3	H4	123.860
C2	C3	H5	123.213	C3	C2	H6	121.557
H4	C3	H5	112.927	H7	C1	H8	107.144
H7	C1	H9	107.144	H8	C1	H9	107.300

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: PM6

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2CHCH3 (Propene)

using model chemistry: PM6

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)